
    alatis_output_mol

 27 25  0  0  0  0  0  0  0  0999 V2000
    2.1092   -2.3526    1.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -4.3854    1.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338   -1.5381   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3972   -0.0337   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5386    1.0428   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -2.5642   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5784   -1.1441   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017   -2.9972    1.3322 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7328    0.5965   -0.1701 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7108   -0.7278   -0.1018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985   -3.0930    1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692   -2.9080    1.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1421   -1.6877    2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0079   -5.0552    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9086   -4.7095    2.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -4.4861    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -0.8685   -0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9316   -2.2162   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785   -0.0077   -0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    2.0858   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -3.2154   -0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985   -2.6338   -0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366   -2.3944    1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.8259    3.0833 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1636    0.9658    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494    0.7827   -2.8153 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1907    1.0445   -1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <ID>
Z2856434839

>  <Barcode>
0110705829

>  <Well>
C03

>  <Plate_ID>
816280-02

>  <MW>
212.12

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N3.2ClH/c1-3-10-7(6-8-2)4-5-9-10;;/h4-5,8H,3,6H2,1-2H3;2*1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	11
3	C	10
4	C	4
5	C	5
6	C	6
7	C	2
8	N	7
9	N	3
10	N	1
11	H	27
12	H	26
13	H	25
14	H	22
15	H	24
16	H	23
17	H	20
18	H	21
19	H	13
20	H	14
21	H	15
22	H	16
23	H	17
24	Cl	8
25	H	18
26	Cl	9
27	H	19


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	12
2	 C 	11
3	 C 	10
4	 C 	4
5	 C 	5
6	 C 	6
7	 C 	2
8	 N 	7
9	 N 	3
10	 N 	1
11	 H 	27
12	 H 	26
13	 H 	25
14	 H 	22
15	 H 	24
16	 H 	23
17	 H 	20
18	 H 	21
19	 H 	13
20	 H 	14
21	 H 	15
22	 H 	16
23	 H 	17

molecule_2
new index	atom name	original index
1	 Cl	8
2	 H 	18

molecule_3
new index	atom name	original index
1	 Cl	9
2	 H 	19


$$$$
